AG00DETY

54335-33-0 | Methyl 2,4-dibromobenzoate

AG00DETY

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CAS Number	54335-33-0
Catalog Number	AG00DETY(AGN-PC-03TFJF)
Chemical Name	Methyl 2,4-dibromobenzoate
IUPAC Name	methyl 2,4-dibromobenzoate
InChI	InChI=1S/C8H6Br2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3
InChI Key	SBKBVWPHNYFFCV-UHFFFAOYSA-N
MDL Number	MFCD09954350
Molecular Formula	C8H6Br2O2
Molecular Weight	293.9400
SMILES	COC(=O)C1=C(Br)C=C(Br)C=C1
Synonyms	Methyl 2,4-dibromobenzoate, 54335-33-0, Methyl-2,4-dibromo benzoate, 2,4-DIBROMOBENZOIC ACID METHYL ESTER, PubChem24437, SCHEMBL3839211, 2,4-Dibrombenzoesauremethylester, CTK8B6941, DTXSID20626620, SBKBVWPHNYFFCV-UHFFFAOYSA-N, 7827AB, ANW-54986, MFCD09954350, QC-784, ZINC47202301, AKOS016001147, 2,4-Dibromo-benzoic acid methyl ester, AK-79410, AM804024, BC005038, DS-17657, SC-52941, AJ-110621, TC-143731, CS-0037930, FT-0666481, C8H6Br2O2,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.871g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	293.942g/mol
Monoisotopic Mass	291.873g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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